N-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide

C25H30N6O2 — CID 86874567

IUPACN-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide
SMILESO=C(CCCn1nnc(-c2ccccc2)n1)NCc1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C25H30N6O2/c32-23(15-8-16-31-29-24(28-30-31)20-10-3-1-4-11-20)26-18-19-9-7-14-22(17-19)27-25(33)21-12-5-2-6-13-21/h1,3-4,7,9-11,14,17,21H,2,5-6,8,12-13,15-16,18H2,(H,26,32)(H,27,33)
InChIKeyCCSGJEXFCGDOBG-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.96
Rot. Bonds9

About N-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide

N-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide (PubChem CID 86874567) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide
PubChem CID86874567
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC NameN-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide
SMILESO=C(CCCn1nnc(-c2ccccc2)n1)NCc1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C25H30N6O2/c32-23(15-8-16-31-29-24(28-30-31)20-10-3-1-4-11-20)26-18-19-9-7-14-22(17-19)27-25(33)21-12-5-2-6-13-21/h1,3-4,7,9-11,14,17,21H,2,5-6,8,12-13,15-16,18H2,(H,26,32)(H,27,33)
InChIKeyCCSGJEXFCGDOBG-UHFFFAOYSA-N
XLogP3.96
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide
CID 1440253
N-[3-[[(3-amino-3-phenylpropanoyl)amino]methyl]phenyl]cyclohexanecarboxamide
CID 119950296
N-[3-[[[2-(trifluoromethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 55894428
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119738924
N-[3-[4-(5-phenyltetrazol-2-yl)butanoylamino]phenyl]furan-3-carboxamide
CID 86874612
N-[3-[[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 55948883
N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide
CID 17222847
N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119299327
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
N-[3-[[3-(1-phenylbenzimidazol-2-yl)propanoylamino]methyl]phenyl]cyclobutanecarboxamide
CID 55632069
1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 119167482
N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 29303854

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide (CID 86874567) is N-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide is O=C(CCCn1nnc(-c2ccccc2)n1)NCc1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide?
The InChIKey is CCSGJEXFCGDOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c32-23(15-8-16-31-29-24(28-30-31)20-10-3-1-4-11-20)26-18-19-9-7-14-22(17-19)27-25(33)21-12-5-2-6-13-21/h1,3-4,7,9-11,14,17,21H,2,5-6,8,12-13,15-16,18H2,(H,26,32)(H,27,33).
What are the key properties of N-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide?
N-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide has a molecular weight of 446.56 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 86874567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).